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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YHO2 by Materials Project

YHO2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.29–2.46 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Y3+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YHO2 by Materials Project

YHO2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. There are a spread of Y–O bond distances ranging from 2.24–2.40 Å. H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Y3+ and one H1+ atom. In the second O2- site, O2- is bonded to three equivalent Y3+ and one H1+ atom to form distorted corner-sharing OY3H tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YHO2 by Materials Project

YHO2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Y–O bond distances ranging from 2.22–2.42 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Y3+ and one H1+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YHO2 by Materials Project

YHO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded to six equivalent O2- atoms to form edge-sharing YO6 octahedra. All Y–O bond lengths are 2.31 Å. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.23 Å. O2- is bonded to three equivalent Y3+ and one H1+ atom to form a mixture of distorted edge and corner-sharing OY3H tetrahedra.

36 MATERIALS SCIENCE↗